6,8-dichloroquinoline-3-carbaldehyde

C10H5Cl2NO — CID 131507049

IUPAC6,8-dichloroquinoline-3-carbaldehyde
SMILESO=Cc1cnc2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C10H5Cl2NO/c11-8-2-7-1-6(5-14)4-13-10(7)9(12)3-8/h1-5H
InChIKeyINUSFXPFHRMUCL-UHFFFAOYSA-N
MW226.06 g/mol
LogP3.35
Rot. Bonds1

About 6,8-dichloroquinoline-3-carbaldehyde

6,8-dichloroquinoline-3-carbaldehyde (PubChem CID 131507049) has the molecular formula C10H5Cl2NO and a molecular weight of 226.06 g/mol. Its IUPAC name is 6,8-dichloroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,8-dichloroquinoline-3-carbaldehyde
PubChem CID131507049
Molecular FormulaC10H5Cl2NO
Molecular Weight226.06 g/mol
Exact Mass224.97
IUPAC Name6,8-dichloroquinoline-3-carbaldehyde
SMILESO=Cc1cnc2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C10H5Cl2NO/c11-8-2-7-1-6(5-14)4-13-10(7)9(12)3-8/h1-5H
InChIKeyINUSFXPFHRMUCL-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloroquinoline-3-carbaldehyde?
The IUPAC name of 6,8-dichloroquinoline-3-carbaldehyde (CID 131507049) is 6,8-dichloroquinoline-3-carbaldehyde.
What is the SMILES notation for 6,8-dichloroquinoline-3-carbaldehyde?
The canonical SMILES for 6,8-dichloroquinoline-3-carbaldehyde is O=Cc1cnc2c(Cl)cc(Cl)cc2c1.
What is the InChIKey of 6,8-dichloroquinoline-3-carbaldehyde?
The InChIKey is INUSFXPFHRMUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO/c11-8-2-7-1-6(5-14)4-13-10(7)9(12)3-8/h1-5H.
What are the key properties of 6,8-dichloroquinoline-3-carbaldehyde?
6,8-dichloroquinoline-3-carbaldehyde has a molecular weight of 226.06 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloroquinoline-3-carbaldehyde is sourced from PubChem (CID 131507049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).